ML Research Engineer, Foundation Models (Molecular AI)

Location: Hybrid in San Mateo, California, or New York, New York

Company

Genesis Molecular AI develops generative and predictive foundation models that combine AI and physics to support molecular design, drug discovery, and development.

What you will do

• Drive the research and engineering of foundation models for molecular science.
• Build, optimize, and scale models from research prototypes to high-performance production systems.
• Develop distributed training, efficient inference, and GPU-level performance optimizations.
• Design and execute rigorous experiments on large-scale compute infrastructure.
• Productionize Pearl and related structure prediction models for chemists and drug discovery programs.
• Collaborate with computational chemists, structural biologists, medicinal chemists, researchers, and engineers; mentor team members and contribute to publications.

Requirements

• At least 2 years of industry experience building complex machine learning systems.
• Deep expertise in scalable foundation models, pretraining, post-training, and high-performance ML engineering.
• Strong Python and PyTorch skills, with experience in distributed training systems and large-scale datasets.
• Hands-on experience writing CUDA kernels or optimizing GPU workloads beyond standard frameworks.
• Experience with PyTorch Lightning, Ray Distributed Training, PyTorch Geometric, or related libraries.
• Ability to work rigorously across machine learning, computational chemistry, structural biology, and medicinal chemistry.

Nice to have

• Research experience with LLMs, diffusion models, reinforcement learning, or other advanced generative and predictive models.
• Experience with protein-ligand structure prediction, small-molecule modeling, or computational drug discovery workflows.
• Experience with SFT, RLHF, synthetic data pipelines, Triton, TensorRT, quantization, or large-scale model serving.
• Publications in NeurIPS, ICML, ICLR, or similar venues.
• MS or PhD in machine learning, computer science, computational science, or equivalent experience.

Culture & Benefits

• Salary and equity compensation package.
• Medical, dental, and vision insurance fully covered for employees.
• 401(k) plan and unlimited paid time off.
• Free lunches and dinners at the offices.
• Paid family leave plus life and short- and long-term disability insurance.